[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine

C14H19N3OS — CID 115486360

IUPAC[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C14H19N3OS/c1-10-5-11(7-15)8-17(10)9-12-6-13(18-16-12)14-3-2-4-19-14/h2-4,6,10-11H,5,7-9,15H2,1H3
InChIKeyLNTRVTHYXPCULS-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.57
Rot. Bonds4

About [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine

[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 115486360) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID115486360
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1cc(-c2cccs2)on1
InChIInChI=1S/C14H19N3OS/c1-10-5-11(7-15)8-17(10)9-12-6-13(18-16-12)14-3-2-4-19-14/h2-4,6,10-11H,5,7-9,15H2,1H3
InChIKeyLNTRVTHYXPCULS-UHFFFAOYSA-N
XLogP2.57
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906
8-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235190
[3-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 102787710
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azetidin-3-ol
CID 63092006
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120842955
(2S)-2-methyl-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 94530936
[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486064
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 98764476
[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486083
N-methyl-1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921861
[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]methanol
CID 60684977
3-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 86953434

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine (CID 115486360) is [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine is CC1CC(CN)CN1Cc1cc(-c2cccs2)on1.
What is the InChIKey of [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is LNTRVTHYXPCULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-5-11(7-15)8-17(10)9-12-6-13(18-16-12)14-3-2-4-19-14/h2-4,6,10-11H,5,7-9,15H2,1H3.
What are the key properties of [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
[5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 277.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).